SCHEMBL4862049

SCHEMBL4862049

Cc1cc(N)ccc1NC(CO)C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
SIGMAR1 Q99720 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAD52 P43351 1/20 0.39
PDE10A Q9Y233 1/20 0.38
ALDH1A1 P00352 3/20 0.37
VDR P11473 2/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
CASP1 P29466 2/20 0.34
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TNIK Q9UKE5 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3859936 0.80 SIGMAR1 (0.44) MAPTSIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL4862013 0.79 SIGMAR1 (0.41) MAPTSIGMAR1CYP1A2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL3859541 0.79 MAPT (0.43) MAPTSIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL4862775 0.79 SIGMAR1 (0.43) MAPTSIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL14941288 0.78 MAPT (0.42) MAPTSIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL4860836 0.76 FYN (0.44) MAPTSIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL4860025 0.74 TLR7 (0.40) MAPTSIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL4854316 0.74 CYP1A2 (0.39) MAPTSIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL33659 0.73 MAPT (0.46) MAPTSIGMAR1CYP1A2CYP2C9CYP2C19
SCHEMBL4854597 0.73 SIGMAR1 (0.38) MAPTSIGMAR1CYP1A2CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US claimed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US claimed
EP-1568355-A1 N-alkylhydroxilated secondary paraphenylenediamine which is ortho- and/or meta substituted, composition for dying keratinous fibres comprising this paraphenylenediamine, methods based on this composition and uses. L'OREAL (FR) 2005-08-31 EP claimed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-7445645-B2 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2008-11-04 US disclosed
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith L'OREAL S.A. (FR) 2006-02-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060026774-A1 Ortho-and/or meta-substituted N-alkylhydroxylated secondary para-phenylenediamine compounds, compositions for dyeing keratin fibers comprising such compounds, and processes of dyeing therewith KRT18, CDC73, TYR MAPT 744/4885SIGMAR1 3847/4885CYP1A2 904/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.